NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2023 8.2549 117.2734 55.6987 31.6086 175.2820 2 Y 4.4283 7.7549 116.0705 56.4256 39.4709 173.1138 3 H 4.7994 10.0333 125.2088 54.9933 31.8790 173.3094 4 L 5.4936 8.4732 125.9609 52.9389 43.0844 176.0192 5 R 4.6208 7.9942 117.5167 54.4009 32.5996 172.4509 6 P 4.9945 0.0000 0.0000 61.9339 32.0310 174.8447 7 P 4.7178 0.0000 0.0000 62.8121 32.4087 175.5422 8 R 4.7302 8.9810 117.9444 53.8858 34.1160 176.5765 9 R 3.8496 8.7372 119.3861 60.0149 29.8202 177.8588 10 N 4.6151 8.0234 111.5047 54.6887 38.8192 175.8381 11 D 4.6539 8.6541 119.1870 55.5235 41.1301 178.5675 12 G 3.6106 8.0625 106.9247 47.8298 0.0000 175.5374 13 A 3.9751 7.9323 122.6115 54.8155 18.3661 179.4606 14 A 3.9185 7.7942 118.7783 55.1349 18.4809 179.7936 15 I 3.2545 7.8654 118.8677 64.4130 36.9712 178.0857 16 H 3.2226 7.8569 119.0343 59.0495 29.6862 177.1064 17 Q 3.8173 7.9674 121.3042 58.8503 28.6028 177.9205 18 L 3.8203 7.6864 120.6624 58.1295 42.4850 178.6465 19 V 3.5894 7.6209 118.4687 66.1744 31.1384 177.6284 20 S 4.0463 7.6758 111.4000 61.4614 62.2056 175.2622 21 E 4.3077 7.7445 117.7752 56.5085 30.7779 176.4874 22 C 4.8589 7.7279 117.2346 57.8142 28.4250 172.1824 23 P 4.6882 0.0000 0.0000 62.5847 31.9820 174.5344 24 P 4.8075 0.0000 0.0000 62.6057 31.8855 175.4687 25 L 4.3379 7.4800 118.1275 54.9807 42.0470 177.1677 26 D 4.3531 8.6521 122.4315 54.4873 41.2330 176.0326 27 L 4.3966 8.3682 126.1319 53.6159 41.5832 175.7974 28 N 4.8402 8.6176 124.1431 52.1039 39.4593 175.5202 29 S 4.4104 8.3884 113.6522 58.0787 64.0095 174.8179 30 L 4.0126 8.7786 123.9251 58.9487 41.5840 178.7614 31 Y 4.0257 8.2095 118.3743 60.7289 38.7164 177.7865 32 A 4.0536 8.2418 121.5725 55.5461 18.4809 179.2143 33 Y 3.9868 7.3932 114.9263 61.1638 37.7994 178.8009 34 L 3.9745 8.0882 119.9073 57.7881 41.5905 179.6102 35 L 3.7575 7.8660 118.9069 57.4943 41.5093 179.4388 36 L 4.2070 7.9611 118.9892 58.2454 41.4287 179.3832 37 C 4.2320 7.9822 115.1954 62.9243 28.1070 175.7873 38 E 4.0967 8.2932 119.4936 58.8501 29.1991 178.0185 39 H 4.9545 8.4248 113.9525 55.7695 30.6113 174.7869 40 H 5.0232 8.1903 117.3077 55.3016 30.0193 175.6460 41 A 4.1145 8.2263 125.7175 55.6447 18.3409 180.2842 42 H 4.4708 8.2294 111.3746 58.0055 28.9054 175.8392 43 T 4.6862 8.2649 108.8761 61.3706 69.9924 173.1301 44 C 5.3245 8.0401 119.2307 58.4691 31.7946 173.3684 45 V 4.7505 8.0998 117.7166 60.7986 34.6698 173.7589 46 V 5.0405 9.0639 115.5977 59.5946 35.6682 174.3805 47 A 4.9672 8.7772 125.3134 50.2552 21.0211 174.8828 48 E 5.2611 9.0410 124.4650 54.3728 32.2684 176.1681 49 S 4.0840 9.4262 122.0635 57.1585 64.0481 173.1802 50 P 4.1564 0.0000 0.0000 65.8979 30.9819 177.7206 51 G 3.7324 7.9527 103.3637 45.7196 0.0000 174.1300 52 G 3.9292 8.6194 108.5278 45.1603 0.0000 173.8383 53 R 4.0597 8.1465 120.4188 55.6020 30.7222 175.6921 54 I 4.7047 8.1548 125.4444 60.6771 37.0971 175.0811 55 D 4.8421 8.8834 125.4178 54.0931 42.3700 176.5204 56 G 4.3788 7.6111 105.1961 44.9440 0.0000 171.6139 57 F 5.5176 8.9238 122.7973 56.7267 43.7744 173.1181 58 V 4.5731 8.1726 125.0619 60.8676 34.7031 173.9588 59 S 4.9348 8.3457 122.5487 56.7240 65.0955 172.9962 60 A 5.1941 8.1507 124.5749 51.6450 22.5392 174.6371 61 Y 5.0544 8.2322 115.7725 56.4791 41.6709 174.1866 62 L 4.7616 8.7015 120.8111 54.6389 43.1258 176.9003 63 L 4.3835 8.6445 123.1544 53.8634 42.2199 176.5244 64 P 4.3191 0.0000 0.0000 65.5928 31.4052 177.4657 65 T 4.3246 7.7978 105.7939 62.6236 69.9235 175.2141 66 R 4.6368 7.6482 121.2660 53.5559 30.5009 173.8059 67 P 4.5321 0.0000 0.0000 64.6221 32.1171 177.5219 68 D 4.9291 8.1375 118.7202 53.5363 40.9586 175.3716 69 V 4.8912 8.0213 120.6590 61.3638 34.1596 173.9208 70 L 4.7153 9.0002 131.0089 53.9720 43.6497 174.6556 71 F 4.7767 9.0677 129.8105 56.6352 41.1200 174.2904 72 V 4.0580 7.4252 127.2423 61.4241 31.8090 174.6506 73 W 4.8315 9.4385 135.0000 58.6669 30.3385 175.4807 74 Q 4.7734 8.9366 117.5221 53.9118 32.6911 174.1597 75 V 4.6438 8.5349 121.7704 61.1127 34.0396 174.2660 76 A 4.8967 9.2657 130.8088 49.9665 21.6066 175.0521 77 V 4.7434 8.1827 121.7675 59.7887 34.0319 175.2215 78 H 4.2726 9.1319 126.4595 55.7159 30.7419 176.1544 79 S 4.2266 8.7200 119.2696 61.5527 62.6526 176.5846 80 R 4.0871 8.3880 115.0569 57.6941 29.3929 176.6428 81 A 4.7849 8.1122 120.8339 51.8668 19.4650 176.9406 82 R 4.0823 7.7769 116.0141 57.4714 30.5720 176.3391 83 G 3.8699 8.6962 105.4868 47.3587 0.0000 173.9633 84 H 4.7929 8.1273 112.5362 54.0711 30.8545 173.8790 85 R 3.6552 8.0194 118.0648 57.0185 27.6656 177.8517 86 L 3.8986 7.9780 120.5018 58.0658 42.8127 177.9148 87 G 3.6317 8.0447 106.4358 48.5491 0.0000 174.5535 88 R 3.7945 7.9547 120.0360 58.9991 30.4958 178.8245 89 A 4.2397 7.8103 117.5030 52.9348 18.0281 178.9956 *91 L 4.1523 8.1755 120.4848 56.2683 43.6825 179.4609 92 G 3.6591 8.1278 105.2197 48.2255 0.0000 175.0294 93 H 4.0771 8.0108 119.3901 58.9299 30.2506 176.9754 94 I 3.8297 7.7156 121.0541 64.5733 36.8179 178.2787 95 L 4.0140 7.8200 118.0802 56.7276 41.4648 178.3191 96 E 4.2318 7.5222 115.6601 55.9735 30.5348 176.9431 97 R 4.1003 7.2345 120.0503 55.7957 31.3031 177.0873 98 Q 3.9069 8.8290 121.9238 59.5811 28.9787 178.8766 99 E 4.1232 8.1391 115.0488 58.5013 29.9006 177.0606 100 C 4.6788 8.1461 116.4669 59.1447 28.5440 175.6322 101 R 3.8697 7.6907 118.4511 59.0648 28.7712 177.1773 102 H 4.8118 7.8684 112.4878 55.1321 29.2144 174.6965 103 V 3.9725 7.7516 121.2253 63.2018 31.8748 175.7397 104 R 4.6210 9.2202 126.2013 57.2641 32.1305 175.9191 105 H 5.3896 8.2717 114.2141 53.8939 33.4951 172.4160 106 L 5.4161 9.3132 120.5693 53.2224 45.1364 175.5085 107 E 5.3059 8.8740 120.5884 54.1555 34.1297 174.5125 108 T 3.9398 7.8022 115.8348 61.2853 71.2005 171.6441 109 T 4.8174 8.0636 113.1752 59.6913 71.6119 174.0286 110 V 4.6803 7.9490 115.6473 59.7862 35.4939 174.4596 111 G 4.0779 9.3393 114.7339 44.4351 0.0000 172.7489 112 P 4.2808 0.0000 0.0000 65.3167 31.2475 176.7554 113 D 4.8910 8.2731 115.1610 53.1784 40.3665 176.9226 114 N 4.7153 7.9802 118.7342 51.3267 37.5195 176.7072 115 Q 3.9686 8.3277 119.6340 59.9782 29.7268 179.1359 116 A 4.0389 8.0347 119.2413 54.7031 18.3157 179.2274 117 S 4.2065 7.8644 114.2912 62.3186 62.8588 177.2036 118 R 4.1064 8.1039 120.4121 59.2844 29.7651 179.0504 119 R 3.8975 7.6918 117.3775 59.5972 30.0605 178.5571 120 T 3.7075 7.8244 115.0521 66.8593 68.3684 176.4101 121 F 4.1473 8.0982 119.2405 60.2515 38.8556 177.7570 122 A 4.1547 8.4827 120.8958 54.9016 18.0757 179.8448 123 G 3.5247 8.5067 104.6873 47.8640 0.0000 175.2688 124 L 3.9201 7.9471 123.3636 57.9391 42.0337 178.8064 125 A 4.2310 8.5139 120.8439 55.3926 18.0282 179.8914 126 G 3.5889 8.0900 103.2739 47.9957 0.0000 175.6054 127 E 4.2731 8.4327 119.5479 57.8239 29.4350 177.8909 128 R 4.6303 7.3319 116.9931 55.0305 31.1360 175.5889 129 G 3.9595 8.2563 104.0801 46.9770 0.0000 172.7394 130 A 4.9765 8.2571 119.1503 49.7922 22.1561 176.2903 131 H 4.9478 9.1334 113.7110 53.9158 32.1077 172.8189 132 V 4.6086 8.4677 121.1706 62.0378 32.4532 175.1054 133 S 5.0674 8.9752 122.7111 56.5510 66.2199 172.6328 134 E 5.3149 8.4529 117.1901 55.1152 32.6591 174.3575 135 Q 4.6485 8.7254 120.7642 54.0193 32.6135 172.5823 136 P 4.3725 0.0000 0.0000 63.0126 31.9944 176.4931 137 F 4.2748 9.0478 125.6589 60.5485 39.5427 175.5799 138 F 4.6772 7.8727 117.8739 55.8932 40.2889 175.2847 139 D 4.7532 8.3703 124.1042 52.2733 40.5566 177.0500 140 R 4.2133 8.3597 114.4895 57.8717 29.6418 177.3239 141 Q 4.1706 8.4776 117.4266 57.1554 29.3537 176.3116 142 A 3.8842 7.6675 120.6406 53.1429 20.5395 178.1475 143 F 3.4746 8.1893 120.2099 58.5743 38.3258 177.8286 *150 D 4.3446 9.1157 123.2227 54.8158 42.2473 173.9732 151 E 4.8680 8.4897 125.2044 54.8862 31.1177 174.7617 *153 L 4.3899 8.0786 120.4389 55.2692 43.7029 175.0652 154 L 5.1540 8.6622 126.5005 53.3055 44.0188 175.6333 155 R 5.0446 8.7085 121.7767 54.4038 33.6762 174.7202 156 I 4.8241 8.2744 123.8741 58.1178 40.9921 175.1285 157 G 3.7152 7.7829 113.3883 45.4999 0.0000 169.8595 158 P 4.7934 0.0000 0.0000 61.3278 33.6820 176.1328 159 F 4.6006 8.1468 117.6115 57.7232 39.2760 175.6850 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 R 8.25 4.20 0.00 1.71 2.02 0.00 2.90 0.00 0.00 3.04 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.98 0.00 2 Y 7.75 4.43 0.00 2.97 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 H 10.03 4.80 0.00 3.25 3.22 0.00 5.76 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.47 5.49 0.00 1.14 1.24 0.82 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 5 R 7.99 4.62 0.00 1.86 1.88 0.00 3.02 0.00 0.00 3.46 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 6 P 0.00 4.99 0.00 1.96 2.24 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 7 P 0.00 4.72 0.00 2.27 2.23 0.00 3.95 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.23 0.00 8 R 8.98 4.73 0.00 1.82 1.81 0.00 3.16 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 9 R 8.74 3.85 0.00 1.95 1.94 0.00 3.16 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 10 N 8.02 4.62 0.00 2.75 2.84 0.00 0.00 6.89 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.65 4.65 0.00 2.76 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.06 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.93 3.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.79 3.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.87 3.25 1.53 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.57 -0.70 0.00 0.00 16 H 7.86 3.22 0.00 3.06 3.34 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.97 3.82 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 18 L 7.69 3.82 0.00 1.60 1.67 0.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.62 3.59 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.60 0.00 0.00 20 S 7.68 4.05 0.00 3.74 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.74 4.31 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 22 C 7.73 4.86 0.00 2.91 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.69 0.00 2.17 2.05 0.00 3.80 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 24 P 0.00 4.81 0.00 2.25 2.30 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 25 L 7.48 4.34 0.00 1.74 1.68 0.99 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.65 4.35 0.00 2.80 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.37 4.40 0.00 1.59 1.66 0.74 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.62 4.84 0.00 2.43 2.67 0.00 0.00 7.04 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.39 4.41 0.00 4.08 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.78 4.01 0.00 1.56 1.73 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.21 4.03 0.00 3.05 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.24 4.05 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 7.39 3.99 0.00 3.09 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.09 3.97 0.00 1.63 1.53 0.88 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.87 3.76 0.00 1.89 1.73 1.08 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.96 4.21 0.00 2.09 2.01 0.99 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 37 C 7.98 4.23 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.29 4.10 0.00 1.73 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 39 H 8.42 4.95 0.00 3.06 3.11 0.00 5.61 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.19 5.02 0.00 3.44 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.23 4.11 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.23 4.47 0.00 3.18 3.40 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.26 4.69 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 44 C 8.04 5.32 0.00 2.97 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.10 4.75 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.85 0.00 0.00 46 V 9.06 5.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.02 0.00 0.00 47 A 8.78 4.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 9.04 5.26 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 49 S 9.43 4.08 0.00 3.88 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.16 0.00 1.98 2.12 0.00 3.45 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.99 0.00 51 G 7.95 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.62 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.15 4.06 0.00 1.86 1.83 0.00 3.05 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 54 I 8.15 4.70 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.71 0.91 0.00 0.00 55 D 8.88 4.84 0.00 2.45 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.61 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.92 5.52 0.00 2.96 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.17 4.57 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.75 0.00 0.00 59 S 8.35 4.93 0.00 4.12 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.15 5.19 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.23 5.05 0.00 3.13 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.70 4.76 0.00 1.67 1.73 1.02 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.64 4.38 0.00 2.01 1.64 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.32 0.00 2.04 2.14 0.00 3.74 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 65 T 7.80 4.32 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 66 R 7.65 4.64 0.00 1.90 1.86 0.00 3.12 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 67 P 0.00 4.53 0.00 2.22 2.22 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 68 D 8.14 4.93 0.00 2.91 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.02 4.89 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.98 0.00 0.00 70 L 9.00 4.72 0.00 1.82 1.54 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 71 F 9.07 4.78 0.00 3.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.43 4.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.94 0.00 0.00 73 W 9.44 4.83 0.00 3.61 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.94 4.77 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.51 0.00 0.00 0.00 0.00 0.00 2.21 1.52 0.00 75 V 8.53 4.64 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.88 0.00 0.00 76 A 9.27 4.90 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.18 4.74 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.88 0.00 0.00 78 H 9.13 4.27 0.00 3.27 3.19 0.00 5.61 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.72 4.23 0.00 4.03 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.39 4.09 0.00 2.00 2.19 0.00 3.34 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 81 A 8.11 4.78 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 7.78 4.08 0.00 1.86 1.88 0.00 3.41 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.78 0.00 83 G 8.70 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.13 4.79 0.00 3.14 3.33 0.00 5.85 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.02 3.66 0.00 1.93 1.89 0.00 3.11 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 86 L 7.98 3.90 0.00 1.50 1.58 0.75 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 87 G 8.04 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 7.95 3.79 0.00 1.78 1.94 0.00 3.28 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.61 0.00 89 A 7.81 4.24 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *91 L 8.18 4.15 0.00 1.75 1.67 0.42 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.13 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.01 4.08 0.00 3.21 3.29 0.00 5.97 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 7.72 3.83 1.95 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.86 0.93 0.00 0.00 95 L 7.82 4.01 0.00 1.56 1.46 0.45 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 96 E 7.52 4.23 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.40 0.00 97 R 7.23 4.10 0.00 2.08 2.05 0.00 3.22 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 98 Q 8.83 3.91 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 99 E 8.14 4.12 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 100 C 8.15 4.68 0.00 3.02 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 R 7.69 3.87 0.00 1.77 2.00 0.00 2.91 0.00 0.00 2.98 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.45 0.00 102 H 7.87 4.81 0.00 3.18 3.37 0.00 5.72 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.75 3.97 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.99 0.00 0.00 104 R 9.22 4.62 0.00 1.77 1.56 0.00 3.13 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 105 H 8.27 5.39 0.00 3.15 3.15 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 9.31 5.42 0.00 1.70 1.59 1.09 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.87 5.31 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.11 0.00 108 T 7.80 3.94 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 109 T 8.06 4.82 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 110 V 7.95 4.68 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.89 0.00 0.00 111 G 9.34 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.28 0.00 2.08 2.16 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 113 D 8.27 4.89 0.00 3.05 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 7.98 4.72 0.00 2.93 3.04 0.00 0.00 6.88 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.33 3.97 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.94 0.00 0.00 0.00 0.00 0.00 2.59 2.32 0.00 116 A 8.03 4.04 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.86 4.21 0.00 4.31 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.10 4.11 0.00 1.93 2.03 0.00 3.15 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 119 R 7.69 3.90 0.00 1.97 1.91 0.00 3.10 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 120 T 7.82 3.71 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 121 F 8.10 4.15 0.00 3.11 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.48 4.15 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.51 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 7.95 3.92 0.00 1.72 1.91 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.51 4.23 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.09 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.43 4.27 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 128 R 7.33 4.63 0.00 2.11 2.19 0.00 3.31 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 129 G 8.26 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.26 4.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 9.13 4.95 0.00 3.09 3.30 0.00 5.26 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 8.47 4.61 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.98 0.00 0.00 133 S 8.98 5.07 0.00 3.89 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.45 5.31 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.28 0.00 135 Q 8.73 4.65 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 136 P 0.00 4.37 0.00 2.14 2.07 0.00 3.75 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 137 F 9.05 4.27 0.00 2.76 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 F 7.87 4.68 0.00 3.27 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.37 4.75 0.00 2.90 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.36 4.21 0.00 1.96 2.12 0.00 3.19 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 141 Q 8.48 4.17 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 142 A 7.67 3.88 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.19 3.47 0.00 3.04 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *150 D 9.12 4.34 0.00 2.68 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 E 8.49 4.87 0.00 2.36 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.39 0.00 *153 L 8.08 4.39 0.00 2.01 1.66 1.11 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.66 5.15 0.00 1.36 1.35 0.84 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 155 R 8.71 5.04 0.00 1.68 1.73 0.00 3.04 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 156 I 8.27 4.82 1.98 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.05 1.02 0.00 0.00 157 G 7.78 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 P 0.00 4.79 0.00 1.97 1.92 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.94 0.00 159 F 8.15 4.60 0.00 3.21 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.